2-[[4-[[2-azanyl-5-[[1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]-4-oxidanylidene-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2-azanyl-5-[[1-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]methyl]-4-oxidanylidene-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-pyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[[2-amino-5-[[1-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2,4-dioxo-5-pyrimidinyl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[[2-amino-5-[[1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]methyl]-4-oxo-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[[2-amino-5-[[1-(4-hydroxy-5-methylol-tetrahydrofuran-2-yl)-2,4-diketo-pyrimidin-5-yl]methyl]-4-keto-1,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C30H36N8O11 MolecularWeight: 684.65384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)N=C(N2)N)N(C1CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)CC4=CN(C(=O)NC4=O)C5CC(C(O5)CO)O

Isomeric SMILES

C1CC2=C(C(=O)N=C(N2)N)N(C1CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)CC4=CN(C(=O)NC4=O)C5CC(C(O5)CO)O

InChI

InChI=1S/C30H36N8O11/c31-29-34-18-6-5-17(10-32-16-3-1-14(2-4-16)25(43)33-19(28(46)47)7-8-23(41)42)37(24(18)27(45)35-29)11-15-12-38(30(48)36-26(15)44)22-9-20(40)21(13-39)49-22/h1-4,12,17,19-22,32,39-40H,5-11,13H2,(H,33,43)(H,41,42)(H,46,47)(H,36,44,48)(H3,31,34,35,45)